6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one

C11H12N2O3 — CID 10421005

IUPAC6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one
SMILESNCC(O)c1cc(O)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C11H12N2O3/c12-5-9(15)7-3-6-1-2-10(16)13-11(6)8(14)4-7/h1-4,9,14-15H,5,12H2,(H,13,16)
InChIKeyGJXKNHYONBFIPN-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.23
Rot. Bonds2

About 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one

6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one (PubChem CID 10421005) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one.

Molecular Properties

Compound Name6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one
PubChem CID10421005
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one
SMILESNCC(O)c1cc(O)c2[nH]c(=O)ccc2c1
InChIInChI=1S/C11H12N2O3/c12-5-9(15)7-3-6-1-2-10(16)13-11(6)8(14)4-7/h1-4,9,14-15H,5,12H2,(H,13,16)
InChIKeyGJXKNHYONBFIPN-UHFFFAOYSA-N
XLogP0.23
TPSA99.34 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one?
The IUPAC name of 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one (CID 10421005) is 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one.
What is the SMILES notation for 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one?
The canonical SMILES for 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one is NCC(O)c1cc(O)c2[nH]c(=O)ccc2c1.
What is the InChIKey of 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one?
The InChIKey is GJXKNHYONBFIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c12-5-9(15)7-3-6-1-2-10(16)13-11(6)8(14)4-7/h1-4,9,14-15H,5,12H2,(H,13,16).
What are the key properties of 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one?
6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one has a molecular weight of 220.23 g/mol, XLogP of 0.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-1-hydroxyethyl)-8-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 10421005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).